Marvin  06271321422D          

 10 10  0  0  1  0            999 V2000
    9.3450   -5.6073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9581   -5.0553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5165   -6.4144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5604   -5.3524    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3054   -4.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2255   -5.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4805   -4.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4437   -6.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8930   -5.8374    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.2676   -6.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  4  9  1  0  0  0  0
  4  5  1  0  0  0  0
  9  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  4  1  1  1  0  0  0
  9  8  1  0  0  0  0
  9 10  1  0  0  0  0
M  CHG  1   9   1
M  END
> <ID>
CHEBI:44813

> <NAME>
N,N-dimethyl-L-prolinium

> <STAR>
3

> <SECONDARY_ID>
CHEBI:44810; CHEBI:21451

> <SYNONYM>
1,1-DIMETHYL-PROLINIUM

> <IUPAC_NAME>
(2S)-2-carboxy-1,1-dimethylpyrrolidinium

> <FORMULA>
C7H14NO2

> <MASS>
144.19160

> <MONOISOTOPIC_MASS>
144.10191

> <CHARGE>
1

> <SMILES>
C[N+]1(C)CCC[C@H]1C(O)=O

> <INCHI>
InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1

> <INCHIKEY>
CMUNUTVVOOHQPW-LURJTMIESA-O

> <BEILSTEIN_REGISTRY_NUMBER>
4132815

> <PDBECHEM_ACCESSION>
PBE

$$$$